SCHEMBL19112166

SCHEMBL19112166

CC(C)n1cnc2c(N(C)Cc3ccc(-c4ccccn4)cc3)nc(NC[C@H](O)CO)nc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.72
▸ CCNA2 P20248 10/20 0.72
▸ CDK9 P50750 9/20 0.72
▸ CDK5 Q00535 9/20 0.72
▸ CCNT1 O60563 8/20 0.72
▸ CCNA1 P78396 8/20 0.72
▸ DYRK1A Q13627 7/20 0.72
▸ CDK5R1 Q15078 7/20 0.72
▸ CSNK1A1 P48729 7/20 0.72
▸ GSK3B P49841 2/20 0.72
▸ GSK3A P49840 1/20 0.72
▸ CCNE1 P24864 8/20 0.58
▸ CCNE2 O96020 5/20 0.58
▸ CDK1 P06493 5/20 0.54
▸ CCNK O75909 3/20 0.54
▸ CDK12 Q9NYV4 3/20 0.54
▸ CCNB1 P14635 2/20 0.54
▸ CDK7 P50613 2/20 0.54
▸ CCNH P51946 2/20 0.54
▸ MNAT1 P51948 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19112253 0.91 CDK2 (0.71) CDK2CCNA2CDK9CDK5CCNT1
SCHEMBL19112174 0.88 CDK2 (0.58) CDK2CCNA2CDK9CDK5CCNT1
SCHEMBL19112176 0.87 CDK2 (0.61) CDK2CCNA2CDK9CDK5CCNT1
SCHEMBL29326802 0.86 CDK2 (0.56) CDK2CCNA2CDK9CDK5CCNT1
SCHEMBL19139043 0.85 CDK2 (0.75) CDK2CCNA2CDK9CDK5CCNT1
SCHEMBL19112097 0.85 CDK2 (0.75) CDK2CCNA2CDK9CDK5CCNT1
SCHEMBL19111955 0.85 CDK2 (0.75) CDK2CCNA2CDK9CDK5CCNT1
SCHEMBL3718719 0.84 CDK2 (1.00) CDK2CCNA2CDK9CDK5CCNT1
SCHEMBL3718729 0.84 CDK2 (1.00) CDK2CCNA2CDK9CDK5CCNT1
SCHEMBL19112345 0.79 CDK2 (0.57) CDK2CCNA2CDK9CDK5CCNT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 — — EP disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 — — US disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 — — US disclosed
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2022-10-18 — — US disclosed
WO-2021214315-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-10-28 — — WO disclosed
EP-3901154-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2021-10-27 — — EP disclosed
EP-2664619-B1 Purine derivatives as tools for screening anti-Alzheimer compounds MANROS THERAPEUTICS (FR) 2017-07-12 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES ADORA1, OXGR1, ADORA2A CDK2 1842/4885CCNA2 1833/4885CDK9 2449/4885
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders TPMT, ADORA2A, PNP CDK2 3765/4885CCNA2 3783/4885CDK9 3454/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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